Sugi Predict

Sugi Predict / Compounds / SCHEMBL5533630

SCHEMBL5533630

SCHEMBL5533630

C=CCN1CCC(c2cccc(Cl)c2C(F)(F)F)CC1.CCCN1CCC(c2cccc(Cl)c2O)CC1.COCCN1CCC(c2cccc(Cl)c2C(F)(F)F)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 8/20 0.39
▸ RBP4 P02753 6/20 0.38
▸ SLC6A4 P31645 1/20 0.37
▸ DCUN1D1 Q96GG9 1/20 0.36
▸ DRD3 P35462 1/20 0.35
▸ DRD1 P21728 2/20 0.35
▸ DRD5 P21918 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2782002 0.83 RBP4 (0.46) DRD2RBP4SLC6A4
SCHEMBL5506986 0.82 RBP4 (0.47) DRD2RBP4SLC6A4DCUN1D1
SCHEMBL2782554 0.81 ADRA2A (0.45) DRD2RBP4DRD3DRD1DRD5
SCHEMBL2783947 0.80 DRD2 (0.54) DRD2SLC6A4DRD3
SCHEMBL2783346 0.80 MEN1 (0.46) DRD2RBP4SLC6A4
SCHEMBL5502725 0.78 DRD2 (0.40) DRD2RBP4DRD3DRD1DRD5
SCHEMBL2783386 0.78 ADRA2A (0.48) DRD2DRD3DRD1DRD5
SCHEMBL5506401 0.78 DRD2 (0.44) DRD2DRD3DRD1DRD5
SCHEMBL2784945 0.77 DRD2 (0.58) DRD2SLC6A4DRD3DRD1DRD5
SCHEMBL5502093 0.76 DRD2 (0.39) DRD2RBP4SLC6A4DRD3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773772-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2007-04-18 — — EP claimed
WO-2005121087-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2005-12-22 — — WO claimed